2-(3,4-dimethylphenyl)sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone CAS Name: 2-[(3,4-dimethylphenyl)thio]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[(3,4-dimethylphenyl)thio]-1-(4-pyrrolidinosulfonylphenyl)ethanone Formula: C20H23NO3S2 MolecularWeight: 389.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C20H23NO3S2/c1-15-5-8-18(13-16(15)2)25-14-20(22)17-6-9-19(10-7-17)26(23,24)21-11-3-4-12-21/h5-10,13H,3-4,11-12,14H2,1-2H3